General Information of the Compound
| Compound ID |
CP0509955
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| Compound Name |
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylphenoxy)acetamide
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| Structure |
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| Formula |
C21H18N4O3S
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| Molecular Weight |
406.467
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(C)cc2)cc(n1)-c1nccs1
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| InChI |
InChI=1S/C21H18N4O3S/c1-13-3-6-15(7-4-13)27-12-19(26)24-18-11-16(21-22-9-10-29-21)23-20(25-18)17-8-5-14(2)28-17/h3-11H,12H2,1-2H3,(H,23,24,25,26)
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| InChIKey |
WLQRARSNWWFZFK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a